1. Field of the Invention
The present invention relates generally to in-silico molecular processing and, more particularly, to methods, systems, and computer program products for simulating biomembranes using coarse grain models.
2. Related Art
Many processes in biology, including membrane fusion membrane-protein interactions, and oxidative phosphorylation, take place at the membrane level. The idea of micron size (μm) domain formation in membranes (‘rafts’) has been invoked to explain mechanisms where lateral lipid organization plays an important role. A broader understanding of the lipid interactions at a mesoscopic level is therefore desired.
Atomic simulation techniques have developed to the point that it is possible to model phospholipid membranes relatively accurately. Unfortunately, conventional algorithms and computer power limit such studies to domain sizes of 5-10 nm and time scales of approximately 10 ns. Thus, much of the collective phenomena described above is computationally unattainable.
What is needed, therefore are methods, systems, and computer program products for studying phospholipid bilayer behavior that are faster than conventional techniques and/or that can study greater time scales than conventional techniques.